1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C15H25N3O — CID 61351527

IUPAC1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(CC3CCCC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-11-6-8-15(16,9-7-11)14-17-13(19-18-14)10-12-4-2-3-5-12/h11-12H,2-10,16H2,1H3
InChIKeyFDNQYSURQPBLLK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds3

About 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 61351527) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID61351527
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(CC3CCCC3)n2)CC1
InChIInChI=1S/C15H25N3O/c1-11-6-8-15(16,9-7-11)14-17-13(19-18-14)10-12-4-2-3-5-12/h11-12H,2-10,16H2,1H3
InChIKeyFDNQYSURQPBLLK-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 61351527) is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is CC1CCC(N)(c2noc(CC3CCCC3)n2)CC1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is FDNQYSURQPBLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-6-8-15(16,9-7-11)14-17-13(19-18-14)10-12-4-2-3-5-12/h11-12H,2-10,16H2,1H3.
What are the key properties of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61351527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).